SCHEMBL21076336

SCHEMBL21076336

CN1CCCN(CCO)CCCN(CCO)CCN(CCO)CCC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CHKA P35790 3/20 0.42
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
SIGMAR1 Q99720 3/20 0.41
CA2 P00918 1/20 0.40
NCF1 P14598 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL316062 0.98 ALDH1A1 (0.46) KDM4EALDH1A1KMT2AMEN1CYP3A4
SCHEMBL19020394 0.95 ALDH1A1 (0.48) KDM4EALDH1A1KMT2AMEN1CYP3A4
SCHEMBL8860543 0.89 ALDH1A1 (0.56) KDM4EALDH1A1KMT2AMEN1CYP3A4
SCHEMBL12958917 0.89 ALDH1A1 (0.56) KDM4EALDH1A1KMT2AMEN1CYP3A4
SCHEMBL27220451 0.89 ALDH1A1 (0.56) KDM4EALDH1A1KMT2AMEN1CYP3A4
SCHEMBL17085988 0.87 ALDH1A1 (0.54) KDM4EALDH1A1KMT2AMEN1CYP3A4
SCHEMBL8753 0.87 ALDH1A1 (0.54) KDM4EALDH1A1KMT2AMEN1CYP3A4
SCHEMBL17085900 0.87 ALDH1A1 (0.54) KDM4EALDH1A1KMT2AMEN1CYP3A4
SCHEMBL378213 0.87
Hydrochloric Acid SCHEMBL7893275 0.84 ALDH1A1 (0.52) KDM4EALDH1A1KMT2AMEN1CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2691443-B1 CONJUGATED LIPOMERS AND USES THEREOF MASSACHUSETTS INST TECHNOLOGY (US) 2021-02-17 EP disclosed
US-20190167795-A1 CONJUGATED LIPOMERS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2019-06-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190167795-A1 CONJUGATED LIPOMERS AND USES THEREOF EZH2, LIPC, PUF60 KDM4E 812/4885ALDH1A1 1831/4885KMT2A 369/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.